REMARK Name = BDB053271 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.661 1.604 0.446 0.00 0.00 +0.066 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.769 1.782 0.823 0.00 0.00 +0.092 A ATOM 3 C LIG 1 1.925 1.476 0.058 0.00 0.00 +0.045 A ATOM 4 C LIG 1 2.973 1.833 0.888 0.00 0.00 +0.171 A ATOM 5 C LIG 1 4.319 1.712 0.556 0.00 0.00 +0.095 A ATOM 6 C LIG 1 4.589 1.158 -0.697 0.00 0.00 +0.126 A ATOM 7 C LIG 1 3.561 0.821 -1.584 0.00 0.00 +0.046 A ATOM 8 O LIG 1 2.477 2.319 2.057 0.00 0.00 -0.354 OA ATOM 9 C LIG 1 2.215 0.961 -1.217 0.00 0.00 +0.017 A ATOM 10 N LIG 1 1.092 2.280 2.025 0.00 0.00 -0.082 NA BRANCH 6 11 ATOM 11 O LIG 1 5.879 1.053 -1.135 0.00 0.00 -0.475 OA BRANCH 11 12 ATOM 12 C LIG 1 6.614 -0.134 -0.748 0.00 0.00 +0.200 C ATOM 13 C LIG 1 5.854 -1.440 -1.022 0.00 0.00 +0.067 C ATOM 14 C LIG 1 7.074 -0.044 0.712 0.00 0.00 +0.067 C BRANCH 12 15 ATOM 15 C LIG 1 7.864 -0.122 -1.648 0.00 0.00 +0.348 C ATOM 16 O LIG 1 8.139 0.674 -2.533 0.00 0.00 -0.247 OA BRANCH 15 17 ATOM 17 O LIG 1 8.722 -1.139 -1.400 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 9.446 -0.986 -2.044 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -1.260 0.339 1.063 0.00 0.00 +0.065 C BRANCH 19 21 ATOM 20 C LIG 1 -3.120 -1.068 -0.074 0.00 0.00 +0.129 A ATOM 21 C LIG 1 -2.627 0.058 0.550 0.00 0.00 +0.083 A ATOM 22 N LIG 1 -3.634 0.988 0.676 0.00 0.00 -0.214 NA ATOM 23 C LIG 1 -4.682 0.418 0.110 0.00 0.00 +0.229 A ATOM 24 O LIG 1 -4.440 -0.849 -0.348 0.00 0.00 -0.440 OA BRANCH 23 25 ATOM 25 C LIG 1 -6.047 0.924 0.002 0.00 0.00 +0.055 A ATOM 26 C LIG 1 -6.930 0.623 -1.049 0.00 0.00 +0.053 A ATOM 27 CL LIG 1 -6.490 -0.347 -2.414 0.00 0.00 -0.083 Cl ATOM 28 C LIG 1 -8.230 1.151 -1.057 0.00 0.00 +0.021 A ATOM 29 C LIG 1 -8.662 1.989 -0.029 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -7.795 2.311 1.008 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.501 1.787 1.020 0.00 0.00 +0.014 A ENDBRANCH 23 25 BRANCH 20 32 ATOM 32 C LIG 1 -2.562 -2.379 -0.483 0.00 0.00 +0.076 C BRANCH 32 34 ATOM 33 C LIG 1 -2.217 -3.372 1.839 0.00 0.00 +0.004 C ATOM 34 C LIG 1 -2.917 -3.502 0.493 0.00 0.00 +0.004 C ENDBRANCH 32 34 ENDBRANCH 20 32 ENDBRANCH 19 21 ENDBRANCH 1 19 TORSDOF 10